CID 22144718

1-(1-benzofuran-5-yl)propan-2-one

Structural Information

Molecular Formula
C11H10O2
SMILES
CC(=O)CC1=CC2=C(C=C1)OC=C2
InChI
InChI=1S/C11H10O2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7H,6H2,1H3
InChIKey
NKGQJFUMMXXUQW-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-5-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

174.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.6
[M+Na]+ 197.05730 143.7
[M-H]- 173.06080 139.6
[M+NH4]+ 192.10190 155.8
[M+K]+ 213.03124 142.4
[M+H-H2O]+ 157.06534 128.6
[M+HCOO]- 219.06628 158.5
[M+CH3COO]- 233.08193 179.6
[M+Na-2H]- 195.04275 141.5
[M]+ 174.06753 137.8
[M]- 174.06863 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe